21 October 2004 Ab initio excitation spectrum of the CO-Ar Van der Waals molecule
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Proceedings Volume 5622, 5th Iberoamerican Meeting on Optics and 8th Latin American Meeting on Optics, Lasers, and Their Applications; (2004); doi: 10.1117/12.590771
Event: 5th Iberoamerican Meeting on Optics and 8th Latin American Meeting on Optics, Lasers, and Their Applications, 2004, Porlamar, Venezuela
Abstract
In the present contribution we performed ab initio calculations at the CCSD(T) level of theory in the framework of the supermolecule approach on the CO-Ar van der Waals (VdW) complex. The interaction energy of the ground CO(X1Σ)-Ar(1S) and excited CO(A1II)-Ar(1S) states and corresponding vertical excitation energies are therefore calculated.
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H. Castejon, M. C. Salazar, J. L. Paz, A. J. Hernandez, "Ab initio excitation spectrum of the CO-Ar Van der Waals molecule", Proc. SPIE 5622, 5th Iberoamerican Meeting on Optics and 8th Latin American Meeting on Optics, Lasers, and Their Applications, (21 October 2004); doi: 10.1117/12.590771; http://dx.doi.org/10.1117/12.590771
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KEYWORDS
Molecules

Argon

Spectroscopy

Supramolecular assemblies

Molecular interactions

Molecular spectroscopy

Chemistry

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